Geometry & MOs

Info

ID:	447281
PubChem CID:	135281740
Reduced:	ClF2O5H19C22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	527.163014
ΔH_f, kcal/mol:	-257.32
Dipole, Da:	1.68
IP(EA), eV:	-10.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-(3-hydroxy-3-methylbutoxy)-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)C(=O)C2(CCOCC2)F)F)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations